Publication Type:Conference Paper
Source:Computational Science – ICCS 2021, Springer International Publishing, Cham (2021)
Quantum materials research is a rapidly growing domain of materials research, seeking novel compounds whose electronic properties are born from the uniquely quantum aspects of their constituent electrons. The data from this rapidly evolving area of quantum materials requires a new community-driven approach for collaboration and sharing the data from the end-to-end quantum material process. This paper describes the quantum material science process in the NSF Quantum Foundry with an overarching example, and introduces the Quantum Data Hub, a platform to amplify the value of the Foundry data through data science and facilitation of: (i) storing and parsing the metadata that exposes programmatic access to the quantum material research lifecycle; (ii) FAIR data search and access interfaces; (iii) collaborative analysis using Jupyter Hub on top of scalable cyberinfrastructure resources; and (iv) web-based workflow management to log the metadata for the material synthesis and experimentation process.